INVESTIGADORES
BELELLI Patricia Gabriela
artículos
Título:
theoretical study of the indene adsorption on SiO2 surfaces
Autor/es:
BELELLI, PATRICIA GABRIELA; FERREIRA, MARÍA LUJÁN; JUAN, ALFREDO; DANIEL EDUARDO, DAMIANI
Revista:
COMPUTATIONAL MATERIALS SCIENCE
Editorial:
ELSEVIER SCIENCE BV
Referencias:
Año: 2000 vol. 17 p. 61 - 72
ISSN:
0927-0256
Resumen:
We studied the indene adsorption on silica surfaces with or without SiCl4. The analysis was realized by means of a semiempirical molecular orbital method. The results show a high degree of selectivity towards the different points of anchoring on the surface. These depend on the silica plane without treatment, species found on SiO2/SiCl4 and the different ways in which the indene molecule approaches the surface. The more stable adsorptions were found over the silica without SiCl4 treatment.
